SCHEMBL1242634

SCHEMBL1242634

Cc1nc2ccc(N3CC[C@H](c4cc(F)c(F)cc4F)[C@@H](N(C(=O)O)C(C)(C)C)C3)nc2n1C

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.58
DPP7 Q9UHL4 13/20 0.58
DPP9 Q86TI2 13/20 0.58
DPP8 Q6V1X1 12/20 0.48
CYP2D6 P10635 6/20 0.44
KCNH2 Q12809 6/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5109946 0.83 DPP4 (0.55) DPP4DPP7DPP9DPP8CYP2D6
Trifluoroacetic Acid SCHEMBL1242611 0.83 DPP4 (0.81) DPP4DPP7DPP9DPP8CYP2D6
SCHEMBL5116792 0.82 DPP4 (0.50) DPP4DPP7DPP9DPP8CYP2D6
SCHEMBL1242689 0.81 DPP4 (0.72) DPP4DPP7DPP9DPP8CYP2D6
SCHEMBL12891147 0.81 DPP4 (0.68) DPP4DPP7DPP9DPP8CYP2D6
SCHEMBL8261400 0.81 DPP4 (0.68) DPP4DPP7DPP9DPP8CYP2D6
SCHEMBL1243176 0.80 DPP4 (0.50) DPP4DPP7DPP9DPP8CYP2D6
SCHEMBL1240711 0.79 DPP4 (0.47) DPP4DPP7DPP9DPP8CYP2D6
SCHEMBL5114076 0.79 DPP4 (0.71) DPP4DPP7DPP9DPP8CYP2D6
SCHEMBL5124448 0.78 DPP4 (0.46) DPP4DPP7DPP9DPP8CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884104-B2 Such as (3R,4R)-1-Pyrimidin-4-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine bis-trifluoroacetic acid salt MERCK SHARP & DOHME CORP. (US) 2011-02-08 US disclosed
EP-1796669-B1 AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-09-22 EP disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885DPP9 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.